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Home > Nitro Compounds > 1240568-65-3
1240568-65-3 | 4-nitro-1-(2-phenoxyethyl)-1H-pyrazole
CAS No: 1240568-65-3 Catalog No: AG00JV1I MDL No:MFCD16810734
Product Description
Catalog Number:
AG00JV1I
Chemical Name:
4-nitro-1-(2-phenoxyethyl)-1H-pyrazole
CAS Number:
1240568-65-3
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD16810734
IUPAC Name:
4-nitro-1-(2-phenoxyethyl)pyrazole
InChI:
InChI=1S/C11H11N3O3/c15-14(16)10-8-12-13(9-10)6-7-17-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2
InChI Key:
SLRQNRHOWRJXDN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCOc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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